N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxidanylidene-4-thiophen-2-yl-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[3-(1-methylsulfonyl-4-piperidyl)-5-oxo-4-(2-thienyl)-1,2,4-triazol-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[3-(1-methylsulfonyl-4-piperidinyl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(1-methylsulfonylpiperidin-4-yl)-5-oxo-4-thiophen-2-yl-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-keto-3-(1-mesyl-4-piperidyl)-4-(2-thienyl)-1,2,4-triazol-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22N6O5S2 MolecularWeight: 466.53448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2C(=O)N(C(=N2)C3CCN(CC3)S(=O)(=O)C)C4=CC=CS4

InChI

InChI=1S/C18H22N6O5S2/c1-12-10-14(21-29-12)19-15(25)11-23-18(26)24(16-4-3-9-30-16)17(20-23)13-5-7-22(8-6-13)31(2,27)28/h3-4,9-10,13H,5-8,11H2,1-2H3,(H,19,21,25)